COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.356   0.931   3.063  1.00  0.00           C  
HETATM    2  C   UNL     1       3.329   0.302   2.369  1.00  0.00           C  
HETATM    3  C   UNL     1       4.979   2.022   2.521  1.00  0.00           C  
HETATM    4  C   UNL     1       4.551   2.472   1.263  1.00  0.00           C  
HETATM    5  C   UNL     1       3.496   1.778   0.626  1.00  0.00           C  
HETATM    6  C   UNL     1       3.038   2.225  -0.663  1.00  0.00           C  
HETATM    7  N   UNL     1       2.930   0.735   1.183  1.00  0.00           N1+
HETATM    8  C   UNL     1       5.144   3.587   0.628  1.00  0.00           C  
HETATM    9  C   UNL     1       4.720   4.008  -0.587  1.00  0.00           C  
HETATM   10  C   UNL     1       3.666   3.346  -1.258  1.00  0.00           C  
HETATM   11  C   UNL     1       3.215   3.769  -2.517  1.00  0.00           C  
HETATM   12  C   UNL     1       2.184   3.078  -3.095  1.00  0.00           C  
HETATM   13  C   UNL     1       1.621   1.987  -2.438  1.00  0.00           C  
HETATM   14  N   UNL     1       2.054   1.582  -1.257  1.00  0.00           N1+
HETATM   15 RU   UNL     1       1.481   0.040  -0.064  1.00  0.00          Ru  
HETATM   16  N   UNL     1      -0.034  -0.584  -1.266  1.00  0.00           N1+
HETATM   17  C   UNL     1      -0.014  -1.351  -2.348  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.171  -1.667  -3.039  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.388  -1.217  -2.566  1.00  0.00           C  
HETATM   20  N   UNL     1       2.788  -1.248  -0.943  1.00  0.00           N1+
HETATM   21  C   UNL     1       3.606  -1.089  -1.972  1.00  0.00           C  
HETATM   22  C   UNL     1       4.428  -2.118  -2.412  1.00  0.00           C  
HETATM   23  C   UNL     1       4.407  -3.334  -1.783  1.00  0.00           C  
HETATM   24  C   UNL     1       2.737  -2.398  -0.308  1.00  0.00           C  
HETATM   25  C   UNL     1       3.538  -3.499  -0.697  1.00  0.00           C  
HETATM   26  C   UNL     1       3.443  -4.720   0.006  1.00  0.00           C  
HETATM   27  C   UNL     1       2.602  -4.863   1.057  1.00  0.00           C  
HETATM   28  C   UNL     1       1.788  -3.790   1.489  1.00  0.00           C  
HETATM   29  C   UNL     1       0.914  -3.915   2.577  1.00  0.00           C  
HETATM   30  C   UNL     1       0.162  -2.827   2.925  1.00  0.00           C  
HETATM   31  C   UNL     1       0.276  -1.643   2.203  1.00  0.00           C  
HETATM   32  C   UNL     1       1.846  -2.548   0.809  1.00  0.00           C  
HETATM   33  N   UNL     1       1.102  -1.535   1.176  1.00  0.00           N1+
HETATM   34  N   UNL     1       0.020   1.080   0.898  1.00  0.00           N1+
HETATM   35  C   UNL     1      -1.134   0.795   0.333  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.161  -0.080  -0.815  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.392  -0.431  -1.417  1.00  0.00           C  
HETATM   38  C   UNL     1       0.096   1.930   1.915  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.036   2.530   2.441  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.277   2.214   1.922  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.340   1.309   0.864  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.635   0.850   0.335  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.662   0.004  -0.807  1.00  0.00           C  
HETATM   44  N   UNL     1      -4.809  -0.426  -1.305  1.00  0.00           N  
HETATM   45  N   UNL     1      -4.761   1.210   0.931  1.00  0.00           N  
HETATM   46  C   UNL     1      -5.926   0.745   0.484  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.953  -0.114  -0.698  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.139   1.042   1.133  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.304   0.520   0.660  1.00  0.00           C  
HETATM   50  C   UNL     1      -8.332  -0.296  -0.471  1.00  0.00           C  
HETATM   51  C   UNL     1      -7.193  -0.605  -1.148  1.00  0.00           C  
HETATM   52  C   UNL     1      -9.652  -0.849  -0.950  1.00  0.00           C  
HETATM   53  C   UNL     1      -9.595   0.824   1.380  1.00  0.00           C  
HETATM   54  H   UNL     1       4.663   0.554   4.027  1.00  0.00           H  
HETATM   55  H   UNL     1       2.845  -0.562   2.806  1.00  0.00           H  
HETATM   56  H   UNL     1       5.775   2.522   3.045  1.00  0.00           H  
HETATM   57  H   UNL     1       5.951   4.113   1.121  1.00  0.00           H  
HETATM   58  H   UNL     1       5.196   4.863  -1.050  1.00  0.00           H  
HETATM   59  H   UNL     1       3.667   4.610  -3.013  1.00  0.00           H  
HETATM   60  H   UNL     1       1.807   3.376  -4.062  1.00  0.00           H  
HETATM   61  H   UNL     1       0.804   1.453  -2.910  1.00  0.00           H  
HETATM   62  H   UNL     1       0.934  -1.740  -2.700  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.122  -2.271  -3.932  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.305  -1.459  -3.074  1.00  0.00           H  
HETATM   65  H   UNL     1       3.636  -0.134  -2.482  1.00  0.00           H  
HETATM   66  H   UNL     1       5.087  -1.955  -3.253  1.00  0.00           H  
HETATM   67  H   UNL     1       5.040  -4.140  -2.113  1.00  0.00           H  
HETATM   68  H   UNL     1       4.053  -5.560  -0.301  1.00  0.00           H  
HETATM   69  H   UNL     1       2.552  -5.812   1.574  1.00  0.00           H  
HETATM   70  H   UNL     1       0.835  -4.840   3.122  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.522  -2.883   3.759  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.327  -0.789   2.487  1.00  0.00           H  
HETATM   73  H   UNL     1       1.064   2.156   2.344  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.948   3.233   3.255  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.172   2.656   2.324  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.148   1.678   2.005  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.240  -1.227  -2.030  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.149  -0.111  -1.579  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.478  -1.759  -1.525  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.283  -1.078  -0.091  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.090   1.668   0.898  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.247  -0.049   1.342  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.382   1.074   2.419  1.00  0.00           H  
CONECT    1    2    2    3   54                                       
CONECT    2    1    1    7   55                                       
CONECT    3    1    4    4   56                                       
CONECT    4    3    3    5    8                                       
CONECT    5    4    7    7    6                                       
CONECT    6    5   14   14   10                                       
CONECT    7    2   15    5    5                                       
CONECT    8    4    9    9   57                                       
CONECT    9    8    8   10   58                                       
CONECT   10    6    9   11   11                                       
CONECT   11   10   10   12   59                                       
CONECT   12   13   13   11   60                                       
CONECT   13   14   12   12   61                                       
CONECT   14   15    6    6   13                                       
CONECT   15   34   33    7   16                                       
CONECT   15   14   20                                                 
CONECT   16   36   15   17   17                                       
CONECT   17   16   16   18   62                                       
CONECT   18   19   19   17   63                                       
CONECT   19   37   18   18   64                                       
CONECT   20   15   24   24   21                                       
CONECT   21   20   22   22   65                                       
CONECT   22   21   21   23   66                                       
CONECT   23   25   25   22   67                                       
CONECT   24   32   20   20   25                                       
CONECT   25   24   26   23   23                                       
CONECT   26   27   27   25   68                                       
CONECT   27   28   26   26   69                                       
CONECT   28   29   29   32   27                                       
CONECT   29   30   28   28   70                                       
CONECT   30   31   31   29   71                                       
CONECT   31   30   30   33   72                                       
CONECT   32   33   33   28   24                                       
CONECT   33   31   15   32   32                                       
CONECT   34   38   38   35   15                                       
CONECT   35   41   34   36   36                                       
CONECT   36   35   35   37   16                                       
CONECT   37   43   43   36   19                                       
CONECT   38   39   34   34   73                                       
CONECT   39   40   40   38   74                                       
CONECT   40   39   39   41   75                                       
CONECT   41   40   42   42   35                                       
CONECT   42   45   41   41   43                                       
CONECT   43   42   44   37   37                                       
CONECT   44   47   47   43                                            
CONECT   45   46   46   42                                            
CONECT   46   48   45   45   47                                       
CONECT   47   46   51   44   44                                       
CONECT   48   49   49   46   76                                       
CONECT   49   53   48   48   50                                       
CONECT   50   49   52   51   51                                       
CONECT   51   50   50   47   77                                       
CONECT   52   50   78   79   80                                       
CONECT   53   49   81   82   83                                       
CONECT   54    1                                                      
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   48                                                      
CONECT   77   51                                                      
CONECT   78   52                                                      
CONECT   79   52                                                      
CONECT   80   52                                                      
CONECT   81   53                                                      
CONECT   82   53                                                      
CONECT   83   53                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
